2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C59H118O22 — CID 88925489

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C1CCC(CCCC(C)CCCC(C)C)CC1C(COC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C59H118O22/c1-53(2)8-6-9-54(3)10-7-11-55-12-13-56(58(51-62-4)80-48-46-78-44-42-76-40-38-74-36-34-72-32-30-70-28-26-68-24-22-66-20-18-64-16-14-60)57(50-55)59(52-63-5)81-49-47-79-45-43-77-41-39-75-37-35-73-33-31-71-29-27-69-25-23-67-21-19-65-17-15-61/h53-61H,6-52H2,1-5H3
InChIKeyWSHZEXTXQLLKJH-UHFFFAOYSA-N
MW1179.57 g/mol
LogP4.97
Rot. Bonds68

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 88925489) has the molecular formula C59H118O22 and a molecular weight of 1179.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID88925489
Molecular FormulaC59H118O22
Molecular Weight1179.57 g/mol
Exact Mass1178.81
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C1CCC(CCCC(C)CCCC(C)C)CC1C(COC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C59H118O22/c1-53(2)8-6-9-54(3)10-7-11-55-12-13-56(58(51-62-4)80-48-46-78-44-42-76-40-38-74-36-34-72-32-30-70-28-26-68-24-22-66-20-18-64-16-14-60)57(50-55)59(52-63-5)81-49-47-79-45-43-77-41-39-75-37-35-73-33-31-71-29-27-69-25-23-67-21-19-65-17-15-61/h53-61H,6-52H2,1-5H3
InChIKeyWSHZEXTXQLLKJH-UHFFFAOYSA-N
XLogP4.97
TPSA225.06 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds68
Heavy Atoms81
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.57
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 88925489) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is COCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C1CCC(CCCC(C)CCCC(C)C)CC1C(COC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WSHZEXTXQLLKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H118O22/c1-53(2)8-6-9-54(3)10-7-11-55-12-13-56(58(51-62-4)80-48-46-78-44-42-76-40-38-74-36-34-72-32-30-70-28-26-68-24-22-66-20-18-64-16-14-60)57(50-55)59(52-63-5)81-49-47-79-45-43-77-41-39-75-37-35-73-33-31-71-29-27-69-25-23-67-21-19-65-17-15-61/h53-61H,6-52H2,1-5H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 1179.57 g/mol, XLogP of 4.97, 68 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[1-[4-(4,8-dimethylnonyl)-2-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]cyclohexyl]-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 88925489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).